⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13950863 | 0.76 | CYP2D6 (0.39) | — | |
| SCHEMBL11723833 | 0.70 | — | — | |
| SCHEMBL1922094 | 0.70 | — | — | |
| SCHEMBL14819123 | 0.70 | — | — | |
| SCHEMBL23005952 | 0.69 | — | — | |
| SCHEMBL23101940 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL10074902 | 0.69 | — | — | |
| SCHEMBL16609234 | 0.67 | — | — | |
| SCHEMBL1921065 | 0.67 | LMNA (0.31) | — | |
| SCHEMBL22111386 | 0.67 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012135095-A2 | S1P ANTAGONISTS AS ADJUNCT OCULAR HYPOTENSIVES | ALLERGAN, INC. (US) | 2012-10-04 | — | — | WO | disclosed |
| WO-2010129553-A1 | S1P3 RECEPTOR INHIBITORS FOR TREATING CONDITIONS OF THE EYE | ALLERGAN, INC. (US) | 2010-11-11 | — | — | WO | disclosed |
| WO-2009117335-A2 | S1P3 RECEPTOR INHIBITORS FOR TREATING INFLAMMATION | ALLERGAN, INC. (US) | 2009-09-24 | — | — | WO | disclosed |
| WO-2008141013-A1 | S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN | ALLERGAN, INC. (US) | 2008-11-20 | — | — | WO | disclosed |
| WO-2007112322-A2 | INDOLE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2007-10-04 | — | — | WO | disclosed |